4-chloro-N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
4-chloro-N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3616-3362 |
| Compound Name: | 4-chloro-N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C23 H18 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc2cc(ccc2o1)NC(NC(c1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0675 |
| logD: | 5.0611 |
| logSw: | -5.4201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.311 |
| InChI Key: | QTJICJCHOCNCNE-UHFFFAOYSA-N |